From owner-chemistry@ccl.net Fri Jul 1 07:51:01 2016 From: "Jan Jensen compchemhighlights(!)gmail.com" To: CCL Subject: CCL: Computational Chemistry Highlight: June issue Message-Id: <-52265-160701013607-31057-6rjfma+RD+CcVDiUFt00Vg---server.ccl.net> X-Original-From: Jan Jensen Content-Type: multipart/alternative; boundary=001a11457d64b8f72905368c5c0b Date: Fri, 1 Jul 2016 07:36:02 +0200 MIME-Version: 1.0 Sent to CCL by: Jan Jensen [compchemhighlights*gmail.com] --001a11457d64b8f72905368c5c0b Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable The June issue of Computational Chemistry Highlights is out. CCH is an overlay journal th= at identifies the most important papers in computational and theoretical chemistry published in the last 1-2 years. CCH is not affiliated with any publisher: it is a free resource run by scientists for scientists. You can read more about it here . Table of content for this issue features contributions from CCH editors Steven Bachrach, David Bowler, and and Jan Jensen: Systematic Error Estimation for Chemical Reaction Energies Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts Molecular Dynamics of Dimethyldioxirane C=E2=80=93H Oxidati on Different approaches to creating (meta-GGA) DFT functionals Interested in more? There are many ways to subscribe to CCH updates . Also, for your daily computational chemistry fix subscribe to Computational Chemistry Daily --001a11457d64b8f72905368c5c0b Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable

The June issue of=C2=A0Computational Chemis= try Highlights=C2=A0is out.


CCH is an=C2=A0overlay journal=C2=A0that identifies the most important papers in = computational and theoretical chemistry published in the last 1-2 years. CC= H is not affiliated with any publisher: it is a free resource run by scient= ists for scientists.=C2=A0You can read mo= re about it here.


Ta= ble of content for this issue features contributions from CCH editors Steve= n Bachrach, David Bowler, and and Jan Jensen:


Systematic Error Estimation for Chemi= cal Reaction Energies


Different approaches to creating (meta-GGA) DFT functionals


Interested in mo= re?=C2=A0There are many ways to subscribe to CCH updates.


Also, for your daily computational = chemistry fix subscribe to=C2=A0Computational Chemistry Daily


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